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Basic information
- CAS
24465-21-2- Standard SMILES
C=Cc1c(C)c(O)cc2c1CC[C@@H]1C(C)(C)[C@H](O)[C@H](O)C[C@@]21C- InChIKey
RLJCBUKFIDXOQW-MLYOOKFZSA-N- Molecular formula
- C20H28O3
- Average molar mass
- 316.441 g/mol
- Monoisotopic mass
- 316.20384476
Names & identifiers
- Preferred name
- 14-Ethenyl-13-methylpodocarpa-8(14),9(11),12-triene-2,3,12-triol
- IUPAC
- 14-Ethenyl-13-methyl-5beta,10alpha-podocarpa-8(14),9(11),12-triene-2alpha,3alpha,12-triol
- English name
- Cleistanthol
- Molecular formula
- C20H28O3
- Molecular weight
- 316.44
Names & synonyms
Cleistanthol(-)-Cleistanthol(5S,10R)-13-Methyl-17-nortotara-8,11,13,15-tetrene-2α,3α,12-triol(2S)-8-Vinyl-1,2,3,4,4a,9,10,10aβ-octahydro-1,1,4aα,7-tetramethyl-2α,3α,6-phenanthrenetriol2,3,6-Phenanthrenetriol, 8-ethenyl-1,2,3,4,4a,9,10,10a-octahydro-1,1,4a,7-tetramethyl-, (2S,3R,4aR,10aS)-
Database identifiers
- CAS
24465-21-2- PubChem CID
- 300554
- DTXSID
DTXSID00947360- ChEMBL
CHEMBL5200238- Nikkaji
- J16.700B
Properties
Physicochemical properties
- Melting point
- 187 · 187-188 °C
- Boiling point
- 474.523 · 474.523±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.146 · 1.146±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 10.464 · 10.464±0.70(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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